4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide

C17H20ClNO2S — CID 19488817

IUPAC4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCc1ccc(Cl)c(OCc2csc(C(=O)NCC(C)C)c2)c1
InChIInChI=1S/C17H20ClNO2S/c1-11(2)8-19-17(20)16-7-13(10-22-16)9-21-15-6-12(3)4-5-14(15)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyPQCAGXBWXUHKRY-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.67
Rot. Bonds6

About 4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide

4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 19488817) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is 4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID19488817
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Name4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCc1ccc(Cl)c(OCc2csc(C(=O)NCC(C)C)c2)c1
InChIInChI=1S/C17H20ClNO2S/c1-11(2)8-19-17(20)16-7-13(10-22-16)9-21-15-6-12(3)4-5-14(15)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyPQCAGXBWXUHKRY-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19483323
4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 19471659
4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-chloro-4-nitrophenyl)thiophene-2-carboxamide
CID 19488811
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
N-butyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471741
4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19488898
4-[(2-chloro-5-methylphenoxy)methyl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19488940
methyl 2-[[4-[(2-chloro-5-methylphenoxy)methyl]thiophene-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19488799
4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19488786
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471677
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
N-(3,5-dichloro-2-pyridinyl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471583

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide (CID 19488817) is 4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide is Cc1ccc(Cl)c(OCc2csc(C(=O)NCC(C)C)c2)c1.
What is the InChIKey of 4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is PQCAGXBWXUHKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-11(2)8-19-17(20)16-7-13(10-22-16)9-21-15-6-12(3)4-5-14(15)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 337.87 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 19488817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).